4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid

C20H19BrN6O2 — CID 70217414

IUPAC4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
SMILESNc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc4[nH]ncc4c3)cnn12
InChIInChI=1S/C20H19BrN6O2/c21-16-17(10-1-3-11(4-2-10)20(28)29)25-19-14(9-24-27(19)18(16)22)12-5-6-15-13(7-12)8-23-26-15/h5-11H,1-4,22H2,(H,23,26)(H,28,29)
InChIKeyHCYZBZYNKWVHSX-UHFFFAOYSA-N
MW455.32 g/mol
LogP3.98
Rot. Bonds3

About 4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid

4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid (PubChem CID 70217414) has the molecular formula C20H19BrN6O2 and a molecular weight of 455.32 g/mol. Its IUPAC name is 4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
PubChem CID70217414
Molecular FormulaC20H19BrN6O2
Molecular Weight455.32 g/mol
Exact Mass454.08
IUPAC Name4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
SMILESNc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc4[nH]ncc4c3)cnn12
InChIInChI=1S/C20H19BrN6O2/c21-16-17(10-1-3-11(4-2-10)20(28)29)25-19-14(9-24-27(19)18(16)22)12-5-6-15-13(7-12)8-23-26-15/h5-11H,1-4,22H2,(H,23,26)(H,28,29)
InChIKeyHCYZBZYNKWVHSX-UHFFFAOYSA-N
XLogP3.98
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.32
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid (CID 70217414) is 4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid is Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc4[nH]ncc4c3)cnn12.
What is the InChIKey of 4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?
The InChIKey is HCYZBZYNKWVHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN6O2/c21-16-17(10-1-3-11(4-2-10)20(28)29)25-19-14(9-24-27(19)18(16)22)12-5-6-15-13(7-12)8-23-26-15/h5-11H,1-4,22H2,(H,23,26)(H,28,29).
What are the key properties of 4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?
4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid has a molecular weight of 455.32 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 70217414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).